| Properties | Image |
|---|
| MNX_ID | MNXM1396956 |
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| reference | chebi:215230 |
| formula | C25H30ClNO6 |
| global charge | 0 |
| mol weight | 475.969 |
| InChIKey | SAMXBYLRDCRTCV-ZPVXUDNESA-N |
| InChI | InChI=1S/C25H30ClNO6/c1-6-15(2)12-16(3)9-10-18-13-19-20(14-27(18)11-7-8-21(29)30)23(31)25(5,33-17(4)28)24(32)22(19)26/h9-10,12-15H,6-8,11H2,1-5H3,(H,29,30)/b10-9+,16-12+/t15-,25+/m0/s1 |
| SMILES | CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)C(=O)C2=CN1CCCC(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C25H30ClNO6/c1-6-15(2)12-16(3)9-10-18-13-19-20(14-27(18)11-7-8-21(29)30)23(31)25(5,33-17(4)28)24(32)22(19)26/h9-10,12-15H,6-8,11H2,1-5H3,(H,29,30)/b10-9+,16-12+/t15-,25+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][C@H:15]([CH3:2])/[CH:12]=[C:16]([CH3:3])/[CH:9]=[CH:10]/[C:18]1=[CH:13][C:19]2=[C:22]([Cl:26])[C:24](=[O:32])[C@:25]([CH3:5])([O:33][C:17]([CH3:4])=[O:28])[C:23](=[O:31])[C:20]2=[CH:14][N:27]1[CH2:11][CH2:7][CH2:8][C:21](=[O:29])[OH:30] |
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